6-[(5S)-5-[[2-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

About 6-[(5S)-5-[[2-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[(5S)-5-[[2-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 142601110) has the molecular formula C22H22N6O6 and a molecular weight of 466.45 g/mol. Its IUPAC name is 6-[(5S)-5-[[2-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name	6-[(5S)-5-[[2-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID	142601110
Molecular Formula	C22H22N6O6
Molecular Weight	466.45 g/mol
Exact Mass	466.16
IUPAC Name	6-[(5S)-5-[[2-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILES	Cn1c(=O)ccc2nccc(OCCNC[C@H]3CN(c4ccc5c(n4)NC(=O)CO5)C(=O)O3)c21
InChI	InChI=1S/C22H22N6O6/c1-27-19(30)5-2-14-20(27)15(6-7-24-14)32-9-8-23-10-13-11-28(22(31)34-13)17-4-3-16-21(25-17)26-18(29)12-33-16/h2-7,13,23H,8-12H2,1H3,(H,25,26,29)/t13-/m0/s1
InChIKey	KUWZQSKOJQPYQB-ZDUSSCGKSA-N
XLogP	0.65
TPSA	136.91 Å²
H-Bond Donors	2
H-Bond Acceptors	10
Rotatable Bonds	7
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.45
LogP ≤ 5	0.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[(5S)-5-[[2-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The IUPAC name of 6-[(5S)-5-[[2-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 142601110) is 6-[(5S)-5-[[2-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

What is the SMILES notation for 6-[(5S)-5-[[2-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The canonical SMILES for 6-[(5S)-5-[[2-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is Cn1c(=O)ccc2nccc(OCCNC[C@H]3CN(c4ccc5c(n4)NC(=O)CO5)C(=O)O3)c21.

What is the InChIKey of 6-[(5S)-5-[[2-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The InChIKey is KUWZQSKOJQPYQB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H22N6O6/c1-27-19(30)5-2-14-20(27)15(6-7-24-14)32-9-8-23-10-13-11-28(22(31)34-13)17-4-3-16-21(25-17)26-18(29)12-33-16/h2-7,13,23H,8-12H2,1H3,(H,25,26,29)/t13-/m0/s1.

What are the key properties of 6-[(5S)-5-[[2-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

6-[(5S)-5-[[2-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 466.45 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5S)-5-[[2-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxy]ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 142601110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).